2C3N

Human glutathione-S-transferase T1-1, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-02
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	164.577, 110.986, 56.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.216
Rwork	0.214
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ljr
RMSD bond length	0.011
RMSD bond angle	1.330
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.540
High resolution limit [Å]	1.510	1.510
Rmerge	0.070	0.810
Number of reflections	161402
<I/σ(I)>	20.4	2.3
Completeness [%]	97.7	96.4
Redundancy	2.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		HANGING DROP VAPOUR DIFFUSION TECHINQUE; 5 MICROLITRES OF RESERVOIR SOLUTION [35% (V/V) PEG 3350,200 MM MG(NO3)2, 200MM NAI, 2 MM DTT] WAS MIXED WITH 5 MICROLITRES OF PROTEIN SOLUTION (10 MG/ML IN 10 MM TRIS-HCL PH 7.8, 15 % GLYCEROL) AND 1 MICROLITRE OF 100 MM CACL2